============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 5 0.900 17.117 -31.057 39.267 -99.200 -91.000 PHE 18 1.000 0.871 -19.959 48.844 -99.200 -91.000 TYR 22 0.840 -10.685 -20.153 52.150 -99.200 -91.000 PHE 37 1.000 -5.894 -20.712 73.770 -99.200 -91.000 TYR 56 0.840 -1.926 -16.685 75.040 -99.200 -91.000 TYR 57 0.840 3.903 -22.816 72.809 -99.200 -91.000 TRP 62 1.040 -6.627 -22.871 58.271 -99.200 -91.000 TRP6 62 1.020 -5.133 -21.756 59.759 -99.200 -91.000 TRP 69 1.040 1.742 -30.528 47.425 -99.200 -91.000 TRP6 69 1.020 1.587 -29.226 49.405 -99.200 -91.000 TYR 74 0.840 3.514 -29.344 42.553 -99.200 -91.000 PHE 80 1.000 3.918 -24.703 51.035 -99.200 -91.000 TRP 88 1.040 -9.062 -16.715 55.755 -99.200 -91.000 TRP6 88 1.020 -9.398 -18.352 57.414 -99.200 -91.000 TYR 95 0.840 -16.774 -10.368 74.504 -99.200 -91.000 HIS 113 0.900 0.230 -34.908 51.331 -99.200 -91.000 PHE 119 1.000 0.149 -18.155 62.672 -99.200 -91.000 PHE 127 1.000 -6.936 -12.789 81.365 -99.200 -91.000 PHE 146 1.000 -7.766 -16.554 74.094 -99.200 -91.000 TRP 149 1.040 -14.682 -8.383 66.626 -99.200 -91.000 TRP6 149 1.020 -14.679 -8.259 69.017 -99.200 -91.000 TYR 151 0.840 -15.178 -15.260 58.617 -99.200 -91.000 PHE 154 1.000 -25.831 -20.687 61.818 -99.200 -91.000 TYR 170 0.840 2.922 -21.202 84.779 -99.200 -91.000 TYR 171 0.840 10.116 -18.614 84.892 -99.200 -91.000 TYR 176 0.840 1.070 -13.938 90.088 -99.200 -91.000 HIS 189 0.900 -27.064 -17.067 70.369 -99.200 -91.000 TYR 190 0.840 -20.487 -12.213 70.770 -99.200 -91.000 TYR 197 0.840 -20.721 -14.359 65.598 -99.200 -91.000 PHE 206 1.000 -4.126 -15.940 88.628 -99.200 -91.000